(phenylmethyl) N'-[(E)-pyridazin-4-ylmethylideneamino]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-[(E)-pyridazin-4-ylmethylideneamino]carbamimidothioate Openeye Name: 2-benzyl-3-[(E)-pyridazin-4-ylmethyleneamino]isothiourea CAS Name: N'-[(E)-4-pyridazinylmethylideneamino]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(E)-pyridazin-4-ylmethylideneamino]carbamimidothioate Traditional Name: 2-benzyl-3-[(E)-pyridazin-4-ylmethyleneamino]isothiourea Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NN=CC2=CN=NC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=N\N=C\C2=CN=NC=C2)/N

InChI

InChI=1S/C13H13N5S/c14-13(19-10-11-4-2-1-3-5-11)18-17-9-12-6-7-15-16-8-12/h1-9H,10H2,(H2,14,18)/b17-9+